Accessing Free-Energy Barriers from Unbiasing Dynamics: Delocalized Transition States in Heterogeneous Catalysis.

Zhang P, Guo C, Hu P

DOI: 10.1021/acs.jctc.6c01132
Published: 2026 Oct 27
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c01132,
  title = {Accessing Free-Energy Barriers from Unbiasing Dynamics: Delocalized Transition States in Heterogeneous Catalysis.},
  author = {Zhang P and Guo C and Hu P},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c01132},
  url = {https://doi.org/10.1021/acs.jctc.6c01132}
}

RIS

TY  - JOUR
TI  - Accessing Free-Energy Barriers from Unbiasing Dynamics: Delocalized Transition States in Heterogeneous Catalysis.
AU  - Zhang P
AU  - Guo C
AU  - Hu P
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c01132
UR  - https://doi.org/10.1021/acs.jctc.6c01132
ER  -

APA

P, Z., C, G., & P, H. (2026). Accessing Free-Energy Barriers from Unbiasing Dynamics: Delocalized Transition States in Heterogeneous Catalysis.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c01132

Source records

pubmed · retrieved 2026-11-10T11:47:24.370Z